Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.57 |
| ▸ | ATM | Q13315 | 1/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.51 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.51 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Hexyl Acetate SCHEMBL31040460 | 1.00 | TSHR (0.57) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| Acetic Acid Propyl Ester SCHEMBL8079133 | 0.90 | CYP3A4 (0.60) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| SCHEMBL10907113 | 0.90 | PRSS1 (0.60) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| SCHEMBL29403528 | 0.90 | ALDH1A1 (0.50) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| SCHEMBL146937 | 0.90 | CYP3A4 (0.68) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| SCHEMBL14625765 | 0.90 | CYP3A4 (0.68) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| SCHEMBL28748130 | 0.88 | CYP3A4 (0.61) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| SCHEMBL10930013 | 0.88 | CYP3A4 (0.66) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| SCHEMBL28146062 | 0.88 | CYP3A4 (0.66) | TSHRCYP3A4ATMTDP1ALDH1A1 | |
| Ammonia Solution, Strong SCHEMBL1878882 | 0.88 | CYP3A4 (0.66) | TSHRCYP3A4ATMTDP1ALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0424965-A1 | Amine oxide process | ETHYL CORPORATION (US) | 1991-05-02 | — | — | EP | disclosed |
| US-4960934-A | Amine oxide process | ETHYL CORPORATION (US) | 1990-10-02 | — | — | US | disclosed |